phenacyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: phenacyl 4-(methylamino)-3-nitro-benzoate Openeye Name: phenacyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid phenacyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c1-17-13-8-7-12(9-14(13)18(21)22)16(20)23-10-15(19)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3